Information card for entry 4081811

Structure parameters

• Formula: C37 H44 Cl2 N2 O Ti
• Calculated formula: C37 H44 Cl2 N2 O Ti
• SMILES: [Ti]12(Cl)(Cl)Oc3c([N]1=Cc1c(N2c2c(cccc2CC)CC)cccc1)cc(C(C)(C)C)cc3C12CC3CC(C1)CC(C3)C2
• Title of publication: Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization
• Authors of publication: Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6277
• a: 10.3564 ± 0.0006 Å
• b: 13.2157 ± 0.0007 Å
• c: 13.6182 ± 0.0007 Å
• α: 76.353 ± 0.001°
• β: 68.494 ± 0.001°
• γ: 89.998 ± 0.001°
• Cell volume: 1677.44 ± 0.16 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No